(4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one

C27H24INO4 — CID 19668545

IUPAC(4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccc(C(C)C)cc3)OC2=O)ccc1OCc1cccc(I)c1
InChIInChI=1S/C27H24INO4/c1-17(2)20-8-10-21(11-9-20)26-29-23(27(30)33-26)14-18-7-12-24(25(15-18)31-3)32-16-19-5-4-6-22(28)13-19/h4-15,17H,16H2,1-3H3/b23-14-
InChIKeyTZKKABIEZKCBSJ-UCQKPKSFSA-N
MW553.40 g/mol
LogP6.35
Rot. Bonds7

About (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one

(4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one (PubChem CID 19668545) has the molecular formula C27H24INO4 and a molecular weight of 553.40 g/mol. Its IUPAC name is (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
PubChem CID19668545
Molecular FormulaC27H24INO4
Molecular Weight553.40 g/mol
Exact Mass553.08
IUPAC Name(4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccc(C(C)C)cc3)OC2=O)ccc1OCc1cccc(I)c1
InChIInChI=1S/C27H24INO4/c1-17(2)20-8-10-21(11-9-20)26-29-23(27(30)33-26)14-18-7-12-24(25(15-18)31-3)32-16-19-5-4-6-22(28)13-19/h4-15,17H,16H2,1-3H3/b23-14-
InChIKeyTZKKABIEZKCBSJ-UCQKPKSFSA-N
XLogP6.35
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.40
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668414
(4Z)-4-[[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668596
(4Z)-4-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668494
(4Z)-4-[(3,4-diethoxyphenyl)methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668305
(4Z)-4-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 126032888
4-[[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 4117866
(4Z)-2-(4-iodophenyl)-4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19670780
(4Z)-2-(3,4-dichlorophenyl)-4-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672698
(4Z)-4-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668481
(4E)-2-(3-iodophenyl)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6021305
(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19662014
(4Z)-4-[[3-bromo-4-[(3-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665549

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one (CID 19668545) is (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one is COc1cc(/C=C2\N=C(c3ccc(C(C)C)cc3)OC2=O)ccc1OCc1cccc(I)c1.
What is the InChIKey of (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one?
The InChIKey is TZKKABIEZKCBSJ-UCQKPKSFSA-N. The full InChI is InChI=1S/C27H24INO4/c1-17(2)20-8-10-21(11-9-20)26-29-23(27(30)33-26)14-18-7-12-24(25(15-18)31-3)32-16-19-5-4-6-22(28)13-19/h4-15,17H,16H2,1-3H3/b23-14-.
What are the key properties of (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one?
(4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one has a molecular weight of 553.40 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-[(3-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19668545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).